SIMILAR PATTERNS OF AMINO ACIDS FOR 5KR2_A_ROCA101_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d0b INTERNALIN B

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 LEU A 110
ASN A 108
ILE A  82
VAL A  91
ILE A  88
 None
 1.05A 5kr2B-1d0bA:
undetectable		 5kr2B-1d0bA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 229
ILE A 240
ILE A  90
VAL A  81
ILE A 232
 None
 1.24A 5kr2B-1e5fA:
undetectable		 5kr2B-1e5fA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 135
ALA A 468
ILE A 437
GLY A 439
ILE A 409
 None
 1.28A 5kr2B-1fepA:
undetectable		 5kr2B-1fepA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g29 MALTOSE TRANSPORT
PROTEIN MALK

(Thermococcus
litoralis) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 ARG 1 327
ASP 1 249
ILE 1 286
GLY 1 288
ILE 1 289
 None
 1.20A 5kr2B-1g291:
undetectable		 5kr2B-1g291:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0b CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 LEU A   5
ASN A  23
GLY A 205
VAL A  36
ILE A  34
 None
 1.10A 5kr2B-1h0bA:
undetectable		 5kr2B-1h0bA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		5 ARG A  98
ALA A  77
ILE A  59
PRO A 107
ILE A  79
 None
 1.07A 5kr2B-1hsjA:
undetectable		 5kr2B-1hsjA:
13.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.14A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.11A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 1.27A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.75A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.58A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.67A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.67A 5kr2B-1hvcA:
13.8		 5kr2B-1hvcA:
44.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 209
ALA A 136
GLY A 183
VAL A 231
ILE A 210
 None
 0.99A 5kr2B-1hylA:
undetectable		 5kr2B-1hylA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iir GLYCOSYLTRANSFERASE
GTFB

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 ILE A 219
GLY A 386
PRO A 200
VAL A 201
ILE A 382
 None
 1.21A 5kr2B-1iirA:
undetectable		 5kr2B-1iirA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A 161
ALA A 147
ILE A 200
GLY A 202
ILE A 141
 None
 0.93A 5kr2B-1lk5A:
undetectable		 5kr2B-1lk5A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 LEU A 161
ILE A 200
GLY A 202
ILE A 141
ILE A 180
 None
 1.06A 5kr2B-1lk5A:
undetectable		 5kr2B-1lk5A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ARG B 111
ALA B 178
ASP B 176
GLY B 150
ILE B  74
 BOG  B 450 (-3.6A)
MUP  B 901 (-3.3A)
None
None
None
 1.21A 5kr2B-1lpbB:
undetectable		 5kr2B-1lpbB:
11.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 LEU A 110
ASN A 108
ILE A  82
VAL A  91
ILE A  88
 None
 1.09A 5kr2B-1m9sA:
undetectable		 5kr2B-1m9sA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nvp TRANSCRIPTION
INITIATION FACTOR
IIA BETA CHAIN
TRANSCRIPTION
INITIATION FACTOR
IIA GAMMA CHAIN

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ALA D  97
GLY C 356
ILE C 357
VAL D  93
ILE D  95
 None
 1.26A 5kr2B-1nvpD:
undetectable		 5kr2B-1nvpD:
14.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  30
PRO A  81
ILE A  84
 None
 1.04A 5kr2B-1sivA:
17.9		 5kr2B-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.59A 5kr2B-1sivA:
17.9		 5kr2B-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 LEU A 180
GLY A  46
ILE A  45
VAL A  16
ILE A 176
 None
 1.05A 5kr2B-1tf1A:
undetectable		 5kr2B-1tf1A:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME

(Campylobacter
jejuni) 		PF01128
(IspD)
PF02542
(YgbB) 		5 ARG A 109
ALA A 117
ASP A 118
ILE A 173
ILE A 120
 None
 1.22A 5kr2B-1w55A:
undetectable		 5kr2B-1w55A:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 LEU A 309
ALA A 367
GLY A 373
VAL A 304
ILE A 306
 None
None
TRS  A1001 (-3.3A)
None
None
 1.18A 5kr2B-1ysrA:
undetectable		 5kr2B-1ysrA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 LEU A   5
ASN A  23
GLY A 205
VAL A  36
ILE A  34
 None
 1.06A 5kr2B-2bwaA:
undetectable		 5kr2B-2bwaA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 LEU A 433
ILE A 403
ILE A 259
VAL A 424
ILE A 430
 None
 0.91A 5kr2B-2bwsA:
undetectable		 5kr2B-2bwsA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 LEU A 152
ASP A 108
GLY A 127
ILE A 125
ILE A 156
 None
 0.98A 5kr2B-2cjaA:
undetectable		 5kr2B-2cjaA:
12.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 1.15A 5kr2B-2fmbA:
14.7		 5kr2B-2fmbA:
33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 1.10A 5kr2B-2fmbA:
14.7		 5kr2B-2fmbA:
33.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 LEU A  23
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.49A 5kr2B-2fmbA:
14.7		 5kr2B-2fmbA:
33.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Sulfolobus
solfataricus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 ARG A 183
ILE A 224
GLY A 227
ILE A 230
ILE A 174
 None
 1.26A 5kr2B-2izoA:
undetectable		 5kr2B-2izoA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 LEU A 160
ALA A 136
GLY A 172
ILE A 171
PRO A 208
 None
None
SPD  A 304 ( 4.2A)
None
None
 1.21A 5kr2B-2p18A:
undetectable		 5kr2B-2p18A:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pmp 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF02542
(YgbB) 		5 ALA A 151
ASP A  11
GLY A  24
ILE A 115
ILE A 149
 None
ZN  A 500 (-2.3A)
None
None
None
 1.03A 5kr2B-2pmpA:
undetectable		 5kr2B-2pmpA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE

(Mycobacterium
tuberculosis) 		PF00692
(dUTPase) 		5 LEU A  74
ASN A 132
ALA A 134
GLY A 105
ILE A 138
 None
 0.99A 5kr2B-2qlpA:
undetectable		 5kr2B-2qlpA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.57A 5kr2B-2rkfA:
20.3		 5kr2B-2rkfA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A  21
LEU A  99
ALA A 135
GLY A 402
ILE A  96
 None
None
None
FAD  A 601 ( 3.2A)
None
 1.28A 5kr2B-2wu5A:
undetectable		 5kr2B-2wu5A:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 LEU A 140
ALA A 158
ASP A 136
GLY A 128
ILE A 138
 None
 1.04A 5kr2B-2x5fA:
undetectable		 5kr2B-2x5fA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 ASN A   3
ALA A  32
ILE A 280
PRO A 271
ILE A   4
 None
 1.04A 5kr2B-2yb4A:
undetectable		 5kr2B-2yb4A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 LEU A 681
ALA A 661
GLY A 655
VAL A 692
ILE A 687
 None
 0.93A 5kr2B-2zj8A:
undetectable		 5kr2B-2zj8A:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zl3 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Helicobacter
pylori) 		PF00574
(CLP_protease) 		5 ARG A 113
ALA A  99
ILE A  72
GLY A  75
ILE A  78
 None
 1.16A 5kr2B-2zl3A:
undetectable		 5kr2B-2zl3A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7m CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		5 LEU A   5
ASN A  23
GLY A 196
VAL A  36
ILE A  34
 None
 1.08A 5kr2B-3b7mA:
undetectable		 5kr2B-3b7mA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwx PROTEIN CAGD

(Helicobacter
pylori) 		PF16567
(CagD) 		5 LEU A 142
ASP A  72
ILE A  99
VAL A  66
ILE A  70
 None
 1.24A 5kr2B-3cwxA:
undetectable		 5kr2B-3cwxA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 LEU C  47
ILE C  87
GLY C  85
ILE C  84
ILE C  48
 None
 1.29A 5kr2B-3dhwC:
undetectable		 5kr2B-3dhwC:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 LEU A  46
ALA A  11
ILE A  32
ILE A  54
ILE A   8
 None
 1.24A 5kr2B-3g77A:
undetectable		 5kr2B-3g77A:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A 123
 None
 1.15A 5kr2B-3hdfA:
undetectable		 5kr2B-3hdfA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hja GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A 313
ALA A 310
ILE A 171
GLY A 174
ILE A 312
 None
 1.02A 5kr2B-3hjaA:
undetectable		 5kr2B-3hjaA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0m DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1

(Schizosaccharomyces
pombe) 		PF00498
(FHA) 		5 ILE A  52
GLY A 137
ILE A 138
VAL A 191
ILE A  17
 None
 0.89A 5kr2B-3i0mA:
undetectable		 5kr2B-3i0mA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LEU A 156
ALA A 132
ASP A 120
ILE A  77
ILE A 130
 None
 0.84A 5kr2B-3kl7A:
undetectable		 5kr2B-3kl7A:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5a NADH/FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Staphylococcus
aureus) 		PF00724
(Oxidored_FMN) 		5 ARG A  22
GLY A 226
ILE A 224
PRO A 300
ILE A 302
 None
 0.88A 5kr2B-3l5aA:
undetectable		 5kr2B-3l5aA:
13.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.70A 5kr2B-3mwsA:
19.2		 5kr2B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  30
PRO A  81
VAL A  82
 None
 1.10A 5kr2B-3mwsA:
19.2		 5kr2B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 0.55A 5kr2B-3mwsA:
19.2		 5kr2B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.57A 5kr2B-3mwsA:
19.2		 5kr2B-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.51A 5kr2B-3mwsA:
19.2		 5kr2B-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 LEU A 911
ILE A1053
GLY A 971
ILE A 970
ILE A1050
 None
 1.21A 5kr2B-3n7kA:
undetectable		 5kr2B-3n7kA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohg UNCHARACTERIZED
PROTEIN FROM DUF2233
FAMILY

(Bacteroides
ovatus) 		PF09992
(NAGPA) 		5 LEU A  85
ALA A  81
ILE A 279
GLY A 128
ILE A  83
 None
 1.12A 5kr2B-3ohgA:
undetectable		 5kr2B-3ohgA:
18.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.66A 5kr2B-3t3cA:
18.5		 5kr2B-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.53A 5kr2B-3t3cA:
18.5		 5kr2B-3t3cA:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 LEU A  17
ASN A  48
ALA A  46
GLY A 213
VAL A  13
 None
 0.91A 5kr2B-3tfwA:
undetectable		 5kr2B-3tfwA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqv NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Francisella
tularensis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 138
ALA A 260
ILE A 232
VAL A 269
ILE A 267
 None
 1.26A 5kr2B-3tqvA:
undetectable		 5kr2B-3tqvA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.80A 5kr2B-3ttpA:
19.2		 5kr2B-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  30
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-4.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.01A 5kr2B-3ttpA:
19.2		 5kr2B-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.60A 5kr2B-3ttpA:
19.2		 5kr2B-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  30
ILE A  47
PRO A  81
 None
None
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
 1.04A 5kr2B-3u7sA:
19.9		 5kr2B-3u7sA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.75A 5kr2B-3u7sA:
19.9		 5kr2B-3u7sA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.53A 5kr2B-3u7sA:
19.9		 5kr2B-3u7sA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Rattus
norvegicus) 		PF05028
(PARG_cat) 		5 LEU A 714
ALA A 860
GLY A 726
ILE A 722
VAL A 716
 None
None
None
A1R  A1001 (-4.2A)
None
 1.15A 5kr2B-3uelA:
undetectable		 5kr2B-3uelA:
9.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 GLY A 116
ILE A 164
PRO A 123
VAL A 124
ILE A 121
 None
 1.27A 5kr2B-3wajA:
undetectable		 5kr2B-3wajA:
8.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A  28
GLY A 100
ILE A 101
VAL A 248
ILE A 258
 None
 1.23A 5kr2B-4e1jA:
undetectable		 5kr2B-4e1jA:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fc2 POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Mus musculus) 		PF05028
(PARG_cat) 		5 LEU A 711
ALA A 857
GLY A 723
ILE A 719
VAL A 713
 None
 1.12A 5kr2B-4fc2A:
undetectable		 5kr2B-4fc2A:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 LEU A 222
ALA A 271
ILE A 289
PRO A 261
ILE A 244
 None
 1.20A 5kr2B-4fdwA:
undetectable		 5kr2B-4fdwA:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 ARG A 100
ALA A  79
ILE A  61
PRO A 109
ILE A  81
 None
 1.05A 5kr2B-4logA:
undetectable		 5kr2B-4logA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mgx FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A 656
ILE A 608
GLY A 610
VAL A 586
ILE A 658
 None
 1.17A 5kr2B-4mgxA:
undetectable		 5kr2B-4mgxA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 ALA A  13
GLY A 129
ILE A 217
PRO A 113
VAL A 108
 None
 1.12A 5kr2B-4n81A:
undetectable		 5kr2B-4n81A:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 1.06A 5kr2B-4njvA:
20.3		 5kr2B-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.85A 5kr2B-4njvA:
20.3		 5kr2B-4njvA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 ARG A  99
ALA A  78
ILE A  60
PRO A 108
ILE A  80
 None
 1.24A 5kr2B-4pqkA:
undetectable		 5kr2B-4pqkA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		5 LEU A 105
ASP A  86
GLY A  39
ILE A  96
VAL A 109
 None
 1.04A 5kr2B-4ry9A:
undetectable		 5kr2B-4ry9A:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u65 TWO COMPONENT
HISTIDINE KINASE,
GGDEF DOMAIN
PROTEIN/EAL DOMAIN
PROTEIN

(Legionella
pneumophila) 		PF16448
(LapD_MoxY_N) 		5 LEU A  53
ASN A  59
GLY A  88
VAL A 132
ILE A 122
 None
 1.27A 5kr2B-4u65A:
undetectable		 5kr2B-4u65A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ARG A 246
LEU A 241
ILE A 264
GLY A 267
VAL A 249
 None
 1.29A 5kr2B-4yv7A:
undetectable		 5kr2B-4yv7A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 LEU A 263
ALA A  93
ILE A 308
ILE A 378
ILE A 315
 None
 1.26A 5kr2B-4zh7A:
undetectable		 5kr2B-4zh7A:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ALA A  93
ILE A  79
GLY A   7
ILE A   6
ILE A 116
 None
 1.12A 5kr2B-5d01A:
undetectable		 5kr2B-5d01A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 242
ASN A 238
ILE A  91
ILE A  96
ILE A 241
 None
 0.96A 5kr2B-5dtbA:
undetectable		 5kr2B-5dtbA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fur TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIA SUBUNIT 2

(Homo sapiens) 		PF02268
(TFIIA_gamma_N)
PF02751
(TFIIA_gamma_C)
PF03153
(TFIIA) 		5 ALA D  97
GLY C 356
ILE C 357
VAL D  93
ILE D  95
 None
 1.25A 5kr2B-5furD:
undetectable		 5kr2B-5furD:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ASP A1507
GLY A1541
ILE A1556
VAL A1428
ILE A1430
 None
 1.20A 5kr2B-5m59A:
undetectable		 5kr2B-5m59A:
4.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 ARG A 526
ALA A 403
GLY A 397
ILE A 301
VAL A 365
 None
 0.95A 5kr2B-5mu5A:
undetectable		 5kr2B-5mu5A:
9.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 LEU A  32
ALA A 272
ASP A 535
ILE A 533
VAL A   6
 None
FAD  A 602 (-3.4A)
FAD  A 602 (-4.7A)
None
None
 1.28A 5kr2B-5oc1A:
undetectable		 5kr2B-5oc1A:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ore OCTOPINE-BINDING
PERIPLASMIC PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 LEU A  45
ALA A  53
ILE A  25
ILE A  86
ILE A  66
 None
 1.08A 5kr2B-5oreA:
undetectable		 5kr2B-5oreA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.76A 5kr2B-5t2zA:
19.7		 5kr2B-5t2zA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  84
 None
 1.06A 5kr2B-5t2zA:
19.7		 5kr2B-5t2zA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  84
 None
 0.94A 5kr2B-5t2zA:
19.7		 5kr2B-5t2zA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.63A 5kr2B-5t2zA:
19.7		 5kr2B-5t2zA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 LEU A 290
ALA A 322
ILE A 283
ILE A 273
ILE A 320
 None
 1.30A 5kr2B-5yt0A:
undetectable		 5kr2B-5yt0A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 5 ARG A 318
LEU A 305
ASN A 302
ALA A 300
ILE A  53
 None
 1.10A 5kr2B-6b0kA:
undetectable		 5kr2B-6b0kA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 5 LEU A 331
ALA A 170
GLY A 166
ILE A 190
VAL A 416
 None
 1.13A 5kr2B-6bogA:
undetectable		 5kr2B-6bogA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c5w CALCIUM UNIPORTER

(Metarhizium
acridum) 		no annotation 5 LEU A 104
ALA A 243
ASP A 242
GLY A 214
ILE A 240
 None
 1.28A 5kr2B-6c5wA:
undetectable		 5kr2B-6c5wA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.81A 5kr2B-6upjA:
18.0		 5kr2B-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.72A 5kr2B-6upjA:
18.0		 5kr2B-6upjA:
47.47